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Updated v1.4 (bug fix)

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@atillack atillack released this 22 May 03:57
· 224 commits to develop since this release
5335617

This release fixes a bug introduced with the contact analysis in PR #131

Description of bug fix:

  • prevents reading of the receptor pdbqt file (specified with the fld file keyword #MACROMOLECULE) when no contact analysis is requested
  • this avoids both unnecessary file IO and unexpected program termination should the receptor pdbqt file not be available